N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide

C13H15ClN2O2 — CID 7219614

IUPACN-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(C)c21
InChIInChI=1S/C13H15ClN2O2/c1-4-16-12-7(2)5-6-9(14)10(12)11(13(16)18)15-8(3)17/h5-6,11H,4H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyIFZRGEFEGGHBGK-LLVKDONJSA-N
MW266.73 g/mol
LogP2.19
Rot. Bonds2

About N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide

N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 7219614) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide
PubChem CID7219614
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide
SMILESCCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(C)c21
InChIInChI=1S/C13H15ClN2O2/c1-4-16-12-7(2)5-6-9(14)10(12)11(13(16)18)15-8(3)17/h5-6,11H,4H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyIFZRGEFEGGHBGK-LLVKDONJSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide (CID 7219614) is N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide is CCN1C(=O)[C@H](NC(C)=O)c2c(Cl)ccc(C)c21.
What is the InChIKey of N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is IFZRGEFEGGHBGK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-4-16-12-7(2)5-6-9(14)10(12)11(13(16)18)15-8(3)17/h5-6,11H,4H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide?
N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4-chloro-1-ethyl-7-methyl-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 7219614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).